Glycoside
GD130149
Name:
(4,5-dihydroxy-2-{[4-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acidFormula:
C36H62O12SSmiles:
CC(C)(O)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OS(=O)(=O)O)C(C)(C)C5CCC43C)C12Aglycone:
CC(C)(O)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 718.95 | Num_heavy_atoms: | 49 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD52735
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
